C224H144O2 — CID 159984681
9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene (PubChem CID 159984681) has the molecular formula C224H144O2 and a molecular weight of 2867.61 g/mol. Its IUPAC name is 9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene.
| Compound Name | 9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene |
|---|---|
| PubChem CID | 159984681 |
| Molecular Formula | C224H144O2 |
| Molecular Weight | 2867.61 g/mol |
| Exact Mass | 2865.12 |
| IUPAC Name | 9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc13)c1ccccc12.c1ccc2c(c1)oc1ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C42H26.C38H22O2.2C38H26.2C34H22/c1-3-15-29-27(13-1)25-39(33-19-7-5-17-31(29)33)41-35-21-9-11-23-37(35)42(38-24-12-10-22-36(38)41)40-26-28-14-2-4-16-30(28)32-18-6-8-20-34(32)40;1-3-14-28-26(12-1)36(23-20-21-35-32(22-23)25-11-6-7-18-33(25)39-35)27-13-2-4-15-29(27)37(28)31-17-9-16-30-24-10-5-8-19-34(24)40-38(30)31;1-3-13-27(14-4-1)29-17-11-19-31(25-29)37-33-21-7-9-23-35(33)38(36-24-10-8-22-34(36)37)32-20-12-18-30(26-32)28-15-5-2-6-16-28;1-3-11-27(12-4-1)29-19-23-31(24-20-29)37-33-15-7-9-17-35(33)38(36-18-10-8-16-34(36)37)32-25-21-30(22-26-32)28-13-5-2-6-14-28;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-26H;1-22H;2*1-26H;2*1-22H |
| InChIKey | OGELGSLDJGZUPA-UHFFFAOYSA-N |
| XLogP | 63.65 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2867.61 |
| LogP ≤ 5 | 63.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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